Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2539154

COc1ccc(C(Oc2ccc3c(N)nccc3c2)C(=O)OCc2ccccc2)cc1OC.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 1/20 0.46
F7 P08709 10/20 0.42
F3 P13726 10/20 0.42
F2 P00734 7/20 0.42
F10 P00742 7/20 0.42
F11 P03951 4/20 0.42
F12 P00748 2/20 0.41
PLG P00747 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ACHE P22303 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
PLAU P00749 2/20 0.38
GSK3B P49841 1/20 0.37
ROCK1 Q13464 1/20 0.37
MAPT P10636 1/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12227515 0.95 MRGPRX1 (0.50) MRGPRX1F7F3F2F10
Trifluoroacetic Acid SCHEMBL2546080 0.88 F7 (0.57) F7F3F2F10F11
SCHEMBL12227512 0.83 F7 (0.61) F7F3F2F10F11
SCHEMBL2543309 0.81 F2 (0.50) MRGPRX1F7F3F2F10
SCHEMBL8230680 0.81 F2 (0.45) F7F3F2F10F11
Trifluoroacetic Acid SCHEMBL2542797 0.76 F12 (0.44) MRGPRX1F7F2F10F11
Trifluoroacetic Acid SCHEMBL2544772 0.76 F7 (0.54) F7F3F2F10F11
Trifluoroacetic Acid SCHEMBL2535829 0.76 F12 (0.45) MRGPRX1F2F12PLGACHE
Trifluoroacetic Acid SCHEMBL2537897 0.74 F7 (0.52) F7F3F2F10F11
SCHEMBL2544775 0.73 F7 (0.51) F7F3F2F10F11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996541-B1 2-(ARYLOXY)ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2014-04-23 EP disclosed
US-8044242-B2 2-(aryloxy) acetamide factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-25 US disclosed
EP-1856096-B1 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2010-09-01 EP disclosed
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed
US-20090131473-A1 2-(ARYLOXY) ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-05-21 US disclosed
EP-1996541-A1 2-(ARYLOXY)ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS Bristol-Myers Squibb Company (US) 2008-12-03 EP disclosed
EP-1856096-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Bristol-Myers Squibb Company (US) 2007-11-21 EP disclosed
WO-2007103996-A1 2-(ARYLOXY)ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-13 WO disclosed
US-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
WO-2006076246-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants TFPI, SERPINC1, SERPINE1 MRGPRX1 652/4885F7 35/4885F3 20/4885
US-20090131473-A1 2-(ARYLOXY) ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F9, F12 MRGPRX1 697/4885F7 1/4885F3 11/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.